>compound Pyridoxamine_Pyridoxamine
#instrument UPLC Q-Tof Premier, Waters
>formula C8H12N2O2
#smiles OCc(c1)c(CN)c(O)c(C)n1
#RECORD LC-ESI-QTOF_train_data/PR100056.txt;LC-ESI-QTOF_train_data/PR100057.txt;LC-ESI-QTOF_train_data/PR100512.txt
>charge 1
>ionization [M+H]+
>parentmass 169.09767

>collision 5-60
152.0691 150.5
169.0946 922.5

>collision 30
134.0599 9.245
152.07 24.42
169.0149 2.612
169.0946 38.45

>collision 5-60
107.0363 5.022
108.0441 20.38
121.0527 24.82
122.0598 23.67
135.0582 6.073
137.0712 17.19
138.056 9.121
147.0544 7.951
150.0559 13.1
151.0086 4.467
166.8352 17.6
167.0821 71.98

